(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

C13H15N3O2 — CID 103726815

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)5-7-15(9-13)12(17)10-8-14-16-6-3-2-4-11(10)16/h2-4,6,8,18H,5,7,9H2,1H3
InChIKeyCWCLFKYTWXSYSC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.93
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 103726815) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID103726815
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)5-7-15(9-13)12(17)10-8-14-16-6-3-2-4-11(10)16/h2-4,6,8,18H,5,7,9H2,1H3
InChIKeyCWCLFKYTWXSYSC-UHFFFAOYSA-N
XLogP0.93
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 103726815) is (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is CC1(O)CCN(C(=O)c2cnn3ccccc23)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is CWCLFKYTWXSYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(18)5-7-15(9-13)12(17)10-8-14-16-6-3-2-4-11(10)16/h2-4,6,8,18H,5,7,9H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 103726815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).